Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc43)CC2)c1
InChI=1S/C25H31N3O4/c1-31-21-7-4-6-19(16-21)17-24(29)26-20-10-14-27(15-11-20)12-5-13-28-22-8-2-3-9-23(22)32-18-25(28)30/h2-4,6-9,16,20H,5,10-15,17-18H2,1H3,(H,26,29)
PQBNTIOMKCBFPA-UHFFFAOYSA-N
437.54